Search Results - "Caetano, Caio Vinicius"
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Energetic and electronic properties of NH3, NO2 and SO2 interacting with GaN nanotube: a DFT study
Published in Journal of molecular modeling (01-08-2021)“…In this work, the interaction of GaN nanotube (GaNNT) with common air pollutants of industrialized cities, such as NH 3 , NO 2 and SO 2 in different…”
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A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters
Published in Orbital : The Electronic Journal of Chemistry (01-04-2021)“…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
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A detailed theoretical study of the low-energy structures of Au–Ag bimetallic clusters
Published in Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology (01-03-2022)“…In this work, we explored the energetic landscape of Au–Ag bimetallic clusters with Au 3 Ag m , Au 4 Ag m , and Au 5 Ag m compositions (3 ≤ m ≤ 17) using the…”
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A Detailed Theoretical Study of [Cu.sub.3][Ag.sub.m] Bimetallic Clusters
Published in Orbital : The Electronic Journal of Chemistry (01-04-2021)“…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
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Journal Article -
5
A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters
Published in Orbital : The Electronic Journal of Chemistry (01-07-2021)“…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
Get full text
Journal Article